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4(3H)-Quinazolinone, 3-[2-(acetyloxy)-7-azabicyclo[4.1.0]hept-7-yl]-2-ethyl-, (1.alpha.,2.alpha.,6.alpha.)-
SpectraBase Compound ID F2E80TB4WSt
InChI InChI=1S/C18H21N3O3/c1-3-16-19-13-8-5-4-7-12(13)18(23)21(16)20-14-9-6-10-15(17(14)20)24-11(2)22/h4-5,7-8,14-15,17H,3,6,9-10H2,1-2H3/t14?,15-,17?,20?/m1/s1
InChIKey XBSLIDOUEDZSIB-HZHPEIPNSA-N
Mol Weight 327.38 g/mol
Molecular Formula C18H21N3O3
Exact Mass 327.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjeBJkKu2fh
Name 4(3H)-Quinazolinone, 3-[2-(acetyloxy)-7-azabicyclo[4.1.0]hept-7-yl]-2-ethyl-, (1.alpha.,2.alpha.,6.alpha.)-
Alternate Name(s) 7-Azabicyclo[4.1.0]heptane, 4(3H)-quinazolinone deriv. (2R)-7-(2-ethyl-4-oxo-3(4H)-quinazolinyl)-7-azabicyclo[4.1.0]hept-2-yl acetate 2.alpha.-acetoxy-7-(2-ethyl-3,4-dihydro-4-oxoquinazolin-3-yl)-7-azabicyclo-[4.1.0]heptane
CAS Registry Number 125280-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O3
InChI InChI=1S/C18H21N3O3/c1-3-16-19-13-8-5-4-7-12(13)18(23)21(16)20-14-9-6-10-15(17(14)20)24-11(2)22/h4-5,7-8,14-15,17H,3,6,9-10H2,1-2H3/t14?,15-,17?,20?/m1/s1
InChIKey XBSLIDOUEDZSIB-HZHPEIPNSA-N
Molecular Weight 327.384 g/mol
SMILES C1(N(N2C3[C@](OC(=O)C)(CCCC23)[H])C(=Nc2ccccc12)CC)=O
SPLASH splash10-010r-0941000000-c31a7b8992721427102c
Source of Spectrum KC-1989-1519-9
Wiley ID 1325536